Package etomica.data.meter

Class MeterRadiusGyration

java.lang.Object

etomica.data.DataSourceScalar

etomica.data.meter.MeterRadiusGyration

All Implemented Interfaces:

IDataSource

public class MeterRadiusGyration
extends DataSourceScalar

Meter for tabulation of the radius of gyration of a set of chain molecules.

Field Summary

Fields inherited from class etomica.data.DataSourceScalar

data, dataInfo, tag

Constructor Summary

Constructors

Constructor	Description
MeterRadiusGyration(Space space)

Method Summary

Modifier and Type	Method	Description
Box	getBox()
double	getDataAsScalar()	Returns a single scalar value as the measurement for the given box.
MoleculeIteratorAllMolecules	getIterator()	Accessor method for the iterator that generates the atom pairs used to tabulate the ROG
void	setBox(Box box)
void	setIterator(MoleculeIteratorAllMolecules iter)	Mutator method for the iterator that generates the atom pairs used to tabulate the ROG.

Methods inherited from class etomica.data.DataSourceScalar

getData, getDataDouble, getDataInfo, getTag

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

MeterRadiusGyration

public MeterRadiusGyration(Space space)

Method Detail

setIterator

public void setIterator(MoleculeIteratorAllMolecules iter)

Mutator method for the iterator that generates the atom pairs used to tabulate the ROG. By setting this iterator the meter can be configured to compute pair distribution for any set of atom pairs. At construction the default is an instance of ApiLeafAtoms, which generates pairs from all leaf atoms in the box.

Parameters:

iter -

getIterator

public MoleculeIteratorAllMolecules getIterator()

Accessor method for the iterator that generates the atom pairs used to tabulate the ROG

Returns:

getDataAsScalar

public double getDataAsScalar()

Description copied from class: DataSourceScalar

Returns a single scalar value as the measurement for the given box. Subclasses define this method to specify the measurement they make.

Specified by:

getDataAsScalar in class DataSourceScalar

getBox

public Box getBox()

Returns:

Returns the box.

setBox

public void setBox(Box box)

Parameters:

box - The box to set.